BDBM50343831 (S)-1-(4-(7-(Cyclohexylmethoxy)heptyl)benzoyl)pyrrolidine-2-carboximidamide Hydrochloride::CHEMBL1774573
SMILES: NC(=N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1
InChI Key: InChIKey=WRHIFJJVQRCISV-DEOSSOPVSA-N
Data: 2 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human)) | BDBM50343831 ((S)-1-(4-(7-(Cyclohexylmethoxy)heptyl)benzoyl)pyrr...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia Curated by ChEMBL | Assay Description Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells | J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine kinase 2 (SPHK2) (Mus musculus (Mouse)) | BDBM50343831 ((S)-1-(4-(7-(Cyclohexylmethoxy)heptyl)benzoyl)pyrr...) | UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia Curated by ChEMBL | Assay Description Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells | J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V | |||||||||||
More data for this Ligand-Target Pair |